1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

C237H304F11N7O10S2 — CID 160913459

IUPAC1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)C1(c2ccccc2)CC1.CC(C)CCOc1ccccc1.CC(C)COc1ccccc1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1cccs1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc2ccccc12.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1nnc(-c2ccccc2)o1.CCCOc1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/2C13H14.C12H13NS.C12H18O.C12H16.C11H12N2O.C11H13N.2C11H17N.C11H14O2.C11H14O.C11H16O.C10H11F3O.2C10H11F3.C10H12F2.C10H13NO.2C10H14O.2C10H14.C8H12S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-4-9-13-12-7-5-11(6-8-12)10(2)3;1-10(2)12(8-9-12)11-6-4-3-5-7-11;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-10(2)8-9-12-11-6-4-3-5-7-11;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-9(2)8-11-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-8-4-3-5-9-8/h2*3-10H,1-2H3;3-9H,1-2H3;5-8,10H,4,9H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;2*5-9H,1-4H3;4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3,(H2,11,12);4-8H,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeySRCDUPQHKTVVJK-UHFFFAOYSA-N
MW3684.19 g/mol
LogP70.12
Rot. Bonds42

About 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene

1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 160913459) has the molecular formula C237H304F11N7O10S2 and a molecular weight of 3684.19 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID160913459
Molecular FormulaC237H304F11N7O10S2
Molecular Weight3684.19 g/mol
Exact Mass3681.28
IUPAC Name1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)C1(c2ccccc2)CC1.CC(C)CCOc1ccccc1.CC(C)COc1ccccc1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1cccs1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc2ccccc12.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1nnc(-c2ccccc2)o1.CCCOc1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
InChIInChI=1S/2C13H14.C12H13NS.C12H18O.C12H16.C11H12N2O.C11H13N.2C11H17N.C11H14O2.C11H14O.C11H16O.C10H11F3O.2C10H11F3.C10H12F2.C10H13NO.2C10H14O.2C10H14.C8H12S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-4-9-13-12-7-5-11(6-8-12)10(2)3;1-10(2)12(8-9-12)11-6-4-3-5-7-11;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-10(2)8-9-12-11-6-4-3-5-7-11;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-9(2)8-11-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-8-4-3-5-9-8/h2*3-10H,1-2H3;3-9H,1-2H3;5-8,10H,4,9H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;2*5-9H,1-4H3;4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3,(H2,11,12);4-8H,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3
InChIKeySRCDUPQHKTVVJK-UHFFFAOYSA-N
XLogP70.12
TPSA198.85 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds42
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003684.19
LogP ≤ 570.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-1,3-benzodioxole;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-5-fluoro-1-benzofuran;7-tert-butyl-1H-indole;2-tert-butyl-5-methylfuran;2-tert-butyl-1-methylindole;3-tert-butyl-1-methylindole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole;2-tert-butyl-5-(trifluoromethyl)furan;4-tert-butyl-2-(trifluoromethyl)thiophene
CID 159644134
1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 160635761
tert-butylbenzene;4-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;7-tert-butyl-1-benzofuran;7-tert-butyl-1-benzothiophene;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 157342503
3-tert-butyl-N-cyclopropyl-4-fluorobenzamide;3-tert-butyl-4-fluoro-N,N-dimethylbenzamide;1-tert-butyl-3-fluoronaphthalene;4-tert-butyl-1-fluoronaphthalen-2-ol;4-tert-butyl-3-fluoronaphthalen-2-ol;N-(3-tert-butyl-4-fluorophenyl)acetamide;4-(3-tert-butyl-4-fluorophenyl)-1H-pyrazole;1-tert-butyl-2-methoxynaphthalene;1-tert-butyl-3-methylnaphthalene;4-tert-butylnaphthalen-2-amine;1-tert-butylnaphthalene;1-tert-butylnaphthalen-2-ol;4-tert-butylnaphthalen-2-ol;2-(2-tert-butylphenyl)acetamide;4-(2-tert-butylphenyl)-1H-pyrazole;5-(3-tert-butylphenyl)-1H-pyrazole;2-(2-tert-butylphenyl)-1,3-thiazole;5-(2-tert-butylphenyl)-1,3-thiazole;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;1-tert-butyl-5,6,7,8-tetrahydronaphthalen-2-ol;methane
CID 161642742

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 160913459) is 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)C1(c2ccccc2)CC1.CC(C)CCOc1ccccc1.CC(C)COc1ccccc1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1cccs1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(OC(F)(F)F)cc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)OCC2.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc2ccccc12.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1nnc(-c2ccccc2)o1.CCCOc1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is SRCDUPQHKTVVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14.C12H13NS.C12H18O.C12H16.C11H12N2O.C11H13N.2C11H17N.C11H14O2.C11H14O.C11H16O.C10H11F3O.2C10H11F3.C10H12F2.C10H13NO.2C10H14O.2C10H14.C8H12S/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-4-9-13-12-7-5-11(6-8-12)10(2)3;1-10(2)12(8-9-12)11-6-4-3-5-7-11;1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-10(2)8-9-12-11-6-4-3-5-7-11;1-7(2)8-3-5-9(6-4-8)14-10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-9(2)8-11-10-6-4-3-5-7-10;1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)6-8-4-3-5-9-8/h2*3-10H,1-2H3;3-9H,1-2H3;5-8,10H,4,9H2,1-3H3;3-7,10H,8-9H2,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;2*5-9H,1-4H3;4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;3-7,10H,8-9H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3,(H2,11,12);4-8H,1-3H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-5,7H,6H2,1-2H3.
What are the key properties of 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene?
1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3684.19 g/mol, XLogP of 70.12, 42 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(2-methylpropyl)benzene;N,N-dimethyl-3-propan-2-ylaniline;N,N-dimethyl-4-propan-2-ylaniline;1-methoxy-4-propan-2-ylbenzene;3-methylbutoxybenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;2-methylpropoxybenzene;2-methylpropylbenzene;2-(2-methylpropyl)thiophene;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;4-propan-2-ylbenzamide;(1-propan-2-ylcyclopropyl)benzene;6-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;1-propan-2-yl-4-propoxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 160913459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).